SCHEMBL7864083

SCHEMBL7864083

Brc1cnc(-c2cnccn2)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
TERT O14746 5/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SNCA P37840 1/20 0.40
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ROCK2 O75116 1/20 0.36
PIEZO1 Q92508 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
HSD17B10 Q99714 2/20 0.35
DCTPP1 Q9H773 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23214179 0.76 TERT (0.52) HTTRECQLTERTHDAC1HDAC8
SCHEMBL16640385 0.76 HTT (0.56) HTTRECQLCYP1A2KDM4EALDH1A1
SCHEMBL256074 0.75 SNCA (0.52) HDAC8SNCA
SCHEMBL6505980 0.74 KDM4E (0.57) HTTCYP1A2KDM4EALDH1A1SNCA
SCHEMBL7857587 0.72 RAB9A (0.40) HTTRECQLTERTCYP1A2KDM4E
SCHEMBL30762091 0.72 HTT (0.41) HTTRECQLTERTHDAC1HDAC8
SCHEMBL15881584 0.72 ALDH1A1 (0.43) HTTRECQLHDAC1HDAC8HDAC6
SCHEMBL13801156 0.71 HTT (0.59) HTTRECQLTERTHDAC1HDAC8
SCHEMBL12571417 0.71 ALDH1A1 (0.46) HTTRECQLHDAC1HDAC8HDAC6
SCHEMBL78566 0.69 NISCH (0.50) HTTRECQLCYP1A2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1343215-A 6-O-substituted macrolides with antibacterial activity ABBOTT LAB (US) 2002-04-03 CN disclosed
EP-1161438-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2001-12-12 EP disclosed
WO-2000055168-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2000-09-21 WO disclosed
US-6054435-A 6-O-substituted macrolides having antibacterial activity ABBOTT LABORATORIES (US) 2000-04-25 US disclosed